3,5-bis(4-fluorophenyl)-N-methylbenzamide;N,N-dimethyl-1-pyrrolidin-3-ylmethanamine

C27H31F2N3O — CID 142426219

IUPAC3,5-bis(4-fluorophenyl)-N-methylbenzamide;N,N-dimethyl-1-pyrrolidin-3-ylmethanamine
SMILESCN(C)CC1CCNC1.CNC(=O)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H15F2NO.C7H16N2/c1-23-20(24)17-11-15(13-2-6-18(21)7-3-13)10-16(12-17)14-4-8-19(22)9-5-14;1-9(2)6-7-3-4-8-5-7/h2-12H,1H3,(H,23,24);7-8H,3-6H2,1-2H3
InChIKeyYXYANAMMYRKTRD-UHFFFAOYSA-N
MW451.56 g/mol
LogP4.82
Rot. Bonds5

About 3,5-bis(4-fluorophenyl)-N-methylbenzamide;N,N-dimethyl-1-pyrrolidin-3-ylmethanamine

3,5-bis(4-fluorophenyl)-N-methylbenzamide;N,N-dimethyl-1-pyrrolidin-3-ylmethanamine (PubChem CID 142426219) has the molecular formula C27H31F2N3O and a molecular weight of 451.56 g/mol. Its IUPAC name is 3,5-bis(4-fluorophenyl)-N-methylbenzamide;N,N-dimethyl-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound Name3,5-bis(4-fluorophenyl)-N-methylbenzamide;N,N-dimethyl-1-pyrrolidin-3-ylmethanamine
PubChem CID142426219
Molecular FormulaC27H31F2N3O
Molecular Weight451.56 g/mol
Exact Mass451.24
IUPAC Name3,5-bis(4-fluorophenyl)-N-methylbenzamide;N,N-dimethyl-1-pyrrolidin-3-ylmethanamine
SMILESCN(C)CC1CCNC1.CNC(=O)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H15F2NO.C7H16N2/c1-23-20(24)17-11-15(13-2-6-18(21)7-3-13)10-16(12-17)14-4-8-19(22)9-5-14;1-9(2)6-7-3-4-8-5-7/h2-12H,1H3,(H,23,24);7-8H,3-6H2,1-2H3
InChIKeyYXYANAMMYRKTRD-UHFFFAOYSA-N
XLogP4.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride
CID 23145859
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
1-(4-fluoro-2-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116583575
N-methyl-3-nitro-4-(pyrrolidin-3-ylmethoxy)benzamide
CID 82999537
(4-fluoro-2-phenylphenyl)-[[(3S)-pyrrolidin-3-yl]methyl]carbamic acid
CID 121411484
N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721010
2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 123315545
2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 144537748
N-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 71276788
2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119533790
5-fluoro-N,2-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627610

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-fluorophenyl)-N-methylbenzamide;N,N-dimethyl-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of 3,5-bis(4-fluorophenyl)-N-methylbenzamide;N,N-dimethyl-1-pyrrolidin-3-ylmethanamine (CID 142426219) is 3,5-bis(4-fluorophenyl)-N-methylbenzamide;N,N-dimethyl-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for 3,5-bis(4-fluorophenyl)-N-methylbenzamide;N,N-dimethyl-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for 3,5-bis(4-fluorophenyl)-N-methylbenzamide;N,N-dimethyl-1-pyrrolidin-3-ylmethanamine is CN(C)CC1CCNC1.CNC(=O)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of 3,5-bis(4-fluorophenyl)-N-methylbenzamide;N,N-dimethyl-1-pyrrolidin-3-ylmethanamine?
The InChIKey is YXYANAMMYRKTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO.C7H16N2/c1-23-20(24)17-11-15(13-2-6-18(21)7-3-13)10-16(12-17)14-4-8-19(22)9-5-14;1-9(2)6-7-3-4-8-5-7/h2-12H,1H3,(H,23,24);7-8H,3-6H2,1-2H3.
What are the key properties of 3,5-bis(4-fluorophenyl)-N-methylbenzamide;N,N-dimethyl-1-pyrrolidin-3-ylmethanamine?
3,5-bis(4-fluorophenyl)-N-methylbenzamide;N,N-dimethyl-1-pyrrolidin-3-ylmethanamine has a molecular weight of 451.56 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-fluorophenyl)-N-methylbenzamide;N,N-dimethyl-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 142426219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).